(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate

C15H22O2 — CID 91698132

IUPAC(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate
SMILESC=C(C)C1CC=C(C)C(OC(=O)/C(C)=C\C)C1
InChIInChI=1S/C15H22O2/c1-6-11(4)15(16)17-14-9-13(10(2)3)8-7-12(14)5/h6-7,13-14H,2,8-9H2,1,3-5H3/b11-6-
InChIKeyXFUARDLOAHGCSA-WDZFZDKYSA-N
MW234.34 g/mol
LogP3.80
Rot. Bonds3

About (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate (PubChem CID 91698132) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Name(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate
PubChem CID91698132
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate
SMILESC=C(C)C1CC=C(C)C(OC(=O)/C(C)=C\C)C1
InChIInChI=1S/C15H22O2/c1-6-11(4)15(16)17-14-9-13(10(2)3)8-7-12(14)5/h6-7,13-14H,2,8-9H2,1,3-5H3/b11-6-
InChIKeyXFUARDLOAHGCSA-WDZFZDKYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Carvyl acetate
CID 7335
Citronellyl tiglate
CID 6386037
Perillyl acetate
CID 61780
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Aristolactone
CID 13821316
Carvyl acetate, (1S,5S)-
CID 81544
2-Butenoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 5365882
Sinodor
CID 89382
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
10-Methyldodec-2-en-4-olide
CID 21778198

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate?
The IUPAC name of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate (CID 91698132) is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate.
What is the SMILES notation for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate?
The canonical SMILES for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate is C=C(C)C1CC=C(C)C(OC(=O)/C(C)=C\C)C1.
What is the InChIKey of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate?
The InChIKey is XFUARDLOAHGCSA-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-11(4)15(16)17-14-9-13(10(2)3)8-7-12(14)5/h6-7,13-14H,2,8-9H2,1,3-5H3/b11-6-.
What are the key properties of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate?
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate has a molecular weight of 234.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 91698132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).